2,4-Bis(trifluoromethyl)-6-nitrotoluene
TL;DR: 2,4-Bis(trifluoromethyl)-6-nitrotoluene (CAS 240408-98-4) is a chemical compound with molecular formula C9H5F6NO2 and molecular weight 273.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-1-nitro-3,5-bis(trifluoromethyl)benzene
Also Known As: 2,4-Bis(trifluoromethyl)-6-nitrotoluene, 2-methyl-1-nitro-3,5-bis(trifluoromethyl)benzene
| Molecular Formula | C9H5F6NO2 |
|---|---|
| Molecular Weight | 273.02 g/mol |
| LogP | 3.94082 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 273.02246 |
| Heavy Atoms | 18 |
| Complexity | 491.05682 |
Chemical Identifiers
| CAS Number | 240408-98-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)C(F)(F)F |
Product Overview
2,4-Bis(trifluoromethyl)-6-nitrotoluene (CAS 240408-98-4), with molecular formula C9H5F6NO2 and molecular weight 273.02 g/mol. IUPAC: 2-methyl-1-nitro-3,5-bis(trifluoromethyl)benzene.
Chemical Property Profile of 2,4-Bis(trifluoromethyl)-6-nitrotoluene
Property Insights of 2,4-Bis(trifluoromethyl)-6-nitrotoluene
The XLogP value of 3.94082 indicates that 2,4-Bis(trifluoromethyl)-6-nitrotoluene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.14 Ų, 2,4-Bis(trifluoromethyl)-6-nitrotoluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Bis(trifluoromethyl)-6-nitrotoluene has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,4-Bis(trifluoromethyl)-6-nitrotoluene?
The CAS number of 2,4-Bis(trifluoromethyl)-6-nitrotoluene is 240408-98-4.
What is the molecular formula of 2,4-Bis(trifluoromethyl)-6-nitrotoluene?
The molecular formula of 2,4-Bis(trifluoromethyl)-6-nitrotoluene is C9H5F6NO2.
What is the molecular weight of 2,4-Bis(trifluoromethyl)-6-nitrotoluene?
The molecular weight of 2,4-Bis(trifluoromethyl)-6-nitrotoluene is 273.02 g/mol.
Where can I buy 2,4-Bis(trifluoromethyl)-6-nitrotoluene?
You can request a quote for 2,4-Bis(trifluoromethyl)-6-nitrotoluene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Bis(trifluoromethyl)-6-nitrotoluene?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Bis(trifluoromethyl)-6-nitrotoluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.